LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
variable	name string mixer

thermo_modify	flush yes
variable	seed equal 14314

###############################################
# Particle parameters
################################################

variable	rlo equal 0.3
variable	rhi equal 0.6
variable	dlo equal 2.0*${rlo}
variable	dlo equal 2.0*0.3
variable	dhi equal 2.0*${rhi}
variable	dhi equal 2.0*0.6
variable 	skin equal ${rhi}
variable 	skin equal 0.6

variable	coeffRes equal 0.1
variable	coeffFric equal 0.5

variable	kn equal 10^5
variable	kt equal 0.2*${kn}
variable	kt equal 0.2*100000

variable	gravity equal 1.0
variable	density equal 1.0

variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
variable	a equal (-2.0*log(${coeffRes})/PI)^2
variable	a equal (-2.0*log(0.1)/PI)^2
variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
variable        gamma_t equal ${gamma_n}*0.5
variable        gamma_t equal 806.699778405191*0.5

variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)

variable	dt equal ${tcol}*0.02
variable	dt equal 0.00236257621510454*0.02
timestep	${dt}
timestep	4.72515243020908e-05

###############################################

variable	dumpfreq equal 1000
variable	logfreq equal 1000

newton 		on
atom_style	sphere

boundary	p p f

region		boxreg block 0 20 0 20 0 20
create_box	1 boxreg
Created orthogonal box = (0 0 0) to (20 20 20)
  1 by 1 by 1 MPI processor grid

pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
pair_coeff	* *

neighbor        ${skin} multi
neighbor        0.6 multi
thermo 		${logfreq}
thermo 		1000

comm_style	brick
comm_modify 	mode multi group all vel yes
balance		1.1 shift xyz 20 1.1
Balancing ...
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0
  ghost atom cutoff = 0
  binsize = 20, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair gran/hertz/history, perpetual
      attributes: half, newton on, size, history
      pair build: half/size/multi/atomonly/newton
      stencil: half/multi/3d
      bin: multi
WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210)
fix		bal all balance 10000 1.1 shift xyz 20 1.01

####################### Options specific to pouring #########################

region	     	insreg cylinder z 10 10 8 10 18 side in units box
region	    	cylreg cylinder z 10 10 10 0 20 side in units box

variable	theta equal (step/400000)*2*PI

region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box

region		mixer intersect 3 cylreg b1 b2 side in

fix		grav all gravity ${gravity} vector 0 0 -1
fix		grav all gravity 1 vector 0 0 -1
fix		1 all nve/sphere

fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer

fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1

#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z

#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
#dump_modify	2 pad 6

thermo_style	custom step cpu atoms ke v_theta
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:904)
thermo_modify	flush yes lost warn

run		200000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2

@Article{Intveld08,
 author =  {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest},
 title =   {Accurate and Efficient Methods for Modeling Colloidal
            Mixtures in an Explicit Solvent using Molecular Dynamics},
 journal = {Comput.\ Phys.\ Commut.},
 year =    2008,
 volume =  179,
 pages =   {320--329}
}

@article{Shire2020,
 author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin},
 title = {{DEM} Simulations of Polydisperse Media: Efficient Contact
          Detection Applied to Investigate the Quasi-Static Limit},
 journal = {Computational Particle Mechanics},
 year = {2020}
@article{Monti2022,
 author = {Monti, Joseph M. and Clemmer, Joel T. and Srivastava, 
           Ishan and Silbert, Leonardo E. and Grest, Gary S. 
           and Lechman, Jeremy B.},
 title = {Large-scale frictionless jamming with power-law particle 
          size distributions},
 journal = {Phys. Rev. E},
 volume = {106}
 issue = {3}
 year = {2022}
}

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 444 every 84653 steps, 1000 by step 169307
Per MPI rank memory allocation (min/avg/max) = 5.861 | 5.861 | 5.861 Mbytes
   Step          CPU          Atoms        KinEng        v_theta    
         0   0                      0  -0              0            
      1000   0.081165379          444  -0              0.015707963  
      2000   0.15754332           444  -0              0.031415927  
      3000   0.23012784           444  -0              0.04712389   
      4000   0.30324079           444  -0              0.062831853  
      5000   0.37566627           444  -0              0.078539816  
      6000   0.4478183            444  -0              0.09424778   
      7000   0.52130598           444  -0              0.10995574   
      8000   0.59583276           444  -0              0.12566371   
      9000   0.67333641           444  -0              0.14137167   
     10000   0.75133989           444  -0              0.15707963   
     11000   0.88621821           444  -0              0.1727876    
     12000   0.96223543           444  -0              0.18849556   
     13000   1.0406719            444  -0              0.20420352   
     14000   1.1209824            444  -0              0.21991149   
     15000   1.2017612            444  -0              0.23561945   
     16000   1.2818653            444  -0              0.25132741   
     17000   1.36192              444  -0              0.26703538   
     18000   1.4377702            444  -0              0.28274334   
     19000   1.5144381            444  -0              0.2984513    
     20000   1.5913902            444  -0              0.31415927   
     21000   1.6673472            444  -0              0.32986723   
     22000   1.7434481            444  -0              0.34557519   
     23000   1.8190585            444  -0              0.36128316   
     24000   1.8962389            444  -0              0.37699112   
     25000   1.9736636            444  -0              0.39269908   
     26000   2.0534547            444  -0              0.40840704   
     27000   2.1298466            444  -0              0.42411501   
     28000   2.206882             444  -0              0.43982297   
     29000   2.2836177            444  -0              0.45553093   
     30000   2.4525793            444  -0              0.4712389    
     31000   2.528444             444  -0              0.48694686   
     32000   2.6062516            444  -0              0.50265482   
     33000   2.6838811            444  -0              0.51836279   
     34000   2.7618967            444  -0              0.53407075   
     35000   3.1234167            444  -0              0.54977871   
     36000   3.1992217            444  -0              0.56548668   
     37000   3.2744137            444  -0              0.58119464   
     38000   3.3504088            444  -0              0.5969026    
     39000   3.4259728            444  -0              0.61261057   
     40000   3.5020768            444  -0              0.62831853   
     41000   3.5794542            444  -0              0.64402649   
     42000   3.657433             444  -0              0.65973446   
     43000   3.7353763            444  -0              0.67544242   
     44000   3.8131676            444  -0              0.69115038   
     45000   3.8924163            444  -0              0.70685835   
     46000   3.973914             444  -0              0.72256631   
     47000   4.0525907            444  -0              0.73827427   
     48000   4.131257             444  -0              0.75398224   
     49000   4.2096226            444  -0              0.7696902    
     50000   4.2879179            444  -0              0.78539816   
     51000   4.3673368            444  -0              0.80110613   
     52000   4.4496186            444  -0              0.81681409   
     53000   4.5285675            444  -0              0.83252205   
     54000   4.6132205            444  -0              0.84823002   
     55000   4.6992461            444  -0              0.86393798   
     56000   4.7864008            444  -0              0.87964594   
     57000   4.8715403            444  -0              0.89535391   
     58000   4.9547161            444  -0              0.91106187   
     59000   5.0403186            444  -0              0.92676983   
     60000   5.123722             444  -0              0.9424778    
     61000   5.2068168            444  -0              0.95818576   
     62000   5.2899206            444  -0              0.97389372   
     63000   5.3725203            444  -0              0.98960169   
     64000   5.4561614            444  -0              1.0053096    
     65000   5.5399537            444  -0              1.0210176    
     66000   5.6233183            444  -0              1.0367256    
     67000   5.7075311            444  -0              1.0524335    
     68000   5.7921332            444  -0              1.0681415    
     69000   5.8772289            444  -0              1.0838495    
     70000   5.9626083            444  -0              1.0995574    
     71000   6.0468013            444  -0              1.1152654    
     72000   6.1325358            444  -0              1.1309734    
     73000   6.217391             444  -0              1.1466813    
     74000   6.3029286            444  -0              1.1623893    
     75000   6.3892387            444  -0              1.1780972    
     76000   6.4757637            444  -0              1.1938052    
     77000   6.5633899            444  -0              1.2095132    
     78000   6.6494516            444  -0              1.2252211    
     79000   6.7363426            444  -0              1.2409291    
     80000   6.8243808            444  -0              1.2566371    
     81000   6.9120999            444  -0              1.272345     
     82000   7.0004402            444  -0              1.288053     
     83000   7.0882632            444  -0              1.303761     
     84000   7.176153             444  -0              1.3194689    
     85000   7.2980017            888  -0              1.3351769    
     86000   7.4665034            888  -0              1.3508848    
     87000   7.634481             888  -0              1.3665928    
     88000   7.8021372            888  -0              1.3823008    
     89000   7.9705032            888  -0              1.3980087    
     90000   8.1395213            888  -0              1.4137167    
     91000   8.3093436            888  -0              1.4294247    
     92000   8.4791404            888  -0              1.4451326    
     93000   8.6448257            888  -0              1.4608406    
     94000   8.8096695            888  -0              1.4765485    
     95000   8.9806056            888  -0              1.4922565    
     96000   9.1479017            888  -0              1.5079645    
     97000   9.3159102            888  -0              1.5236724    
     98000   9.4817887            888  -0              1.5393804    
     99000   9.6484134            888  -0              1.5550884    
    100000   9.8145145            888  -0              1.5707963    
    101000   9.9833565            888  -0              1.5865043    
    102000   10.153126            888  -0              1.6022123    
    103000   10.32344             888  -0              1.6179202    
    104000   10.493544            888  -0              1.6336282    
    105000   10.663787            888  -0              1.6493361    
    106000   10.834335            888  -0              1.6650441    
    107000   11.004695            888  -0              1.6807521    
    108000   11.175239            888  -0              1.69646      
    109000   11.350053            888  -0              1.712168     
    110000   11.525953            888  -0              1.727876     
    111000   11.702706            888  -0              1.7435839    
    112000   11.880308            888  -0              1.7592919    
    113000   12.058561            888  -0              1.7749998    
    114000   12.236372            888  -0              1.7907078    
    115000   12.414617            888  -0              1.8064158    
    116000   12.592501            888  -0              1.8221237    
    117000   12.770926            888  -0              1.8378317    
    118000   12.949072            888  -0              1.8535397    
    119000   13.128801            888  -0              1.8692476    
    120000   13.311101            888  -0              1.8849556    
    121000   13.489781            888  -0              1.9006636    
    122000   13.669833            888  -0              1.9163715    
    123000   13.85109             888  -0              1.9320795    
    124000   14.032358            888  -0              1.9477874    
    125000   14.213661            888  -0              1.9634954    
    126000   14.393846            888  -0              1.9792034    
    127000   14.574645            888  -0              1.9949113    
    128000   14.755261            888  -0              2.0106193    
    129000   14.939145            888  -0              2.0263273    
    130000   15.123073            888  -0              2.0420352    
    131000   15.303459            888  -0              2.0577432    
    132000   15.484755            888  -0              2.0734512    
    133000   15.665288            888  -0              2.0891591    
    134000   15.845779            888  -0              2.1048671    
    135000   16.026283            888  -0              2.120575     
    136000   16.20857             888  -0              2.136283     
    137000   16.39054             888  -0              2.151991     
    138000   16.574105            888  -0              2.1676989    
    139000   16.758949            888  -0              2.1834069    
    140000   16.943594            888  -0              2.1991149    
    141000   17.127119            888  -0              2.2148228    
    142000   17.311688            888  -0              2.2305308    
    143000   17.498924            888  -0              2.2462387    
    144000   17.68621             888  -0              2.2619467    
    145000   17.873463            888  -0              2.2776547    
    146000   18.061679            888  -0              2.2933626    
    147000   18.248264            888  -0              2.3090706    
    148000   18.434172            888  -0              2.3247786    
    149000   18.620894            888  -0              2.3404865    
    150000   18.807222            888  -0              2.3561945    
    151000   18.993959            888  -0              2.3719025    
    152000   19.183597            888  -0              2.3876104    
    153000   19.372979            888  -0              2.4033184    
    154000   19.560741            888  -0              2.4190263    
    155000   19.760386            888  -0              2.4347343    
    156000   19.968774            888  -0              2.4504423    
    157000   20.179252            888  -0              2.4661502    
    158000   20.388599            888  -0              2.4818582    
    159000   20.598976            888  -0              2.4975662    
    160000   20.80891             888  -0              2.5132741    
    161000   21.026202            888  -0              2.5289821    
    162000   21.239367            888  -0              2.54469      
    163000   21.452486            888  -0              2.560398     
    164000   21.665343            888  -0              2.576106     
    165000   21.879421            888  -0              2.5918139    
    166000   22.093404            888  -0              2.6075219    
    167000   22.307097            888  -0              2.6232299    
    168000   22.521133            888  -0              2.6389378    
    169000   22.735535            888  -0              2.6546458    
    170000   22.968021           1000  -0              2.6703538    
    171000   23.205371           1000  -0              2.6860617    
    172000   23.44698            1000  -0              2.7017697    
    173000   23.689107           1000  -0              2.7174776    
    174000   23.930244           1000  -0              2.7331856    
    175000   24.168568           1000  -0              2.7488936    
    176000   24.405774           1000  -0              2.7646015    
    177000   24.645769           1000  -0              2.7803095    
    178000   24.886311           1000  -0              2.7960175    
    179000   25.129675           1000  -0              2.8117254    
    180000   25.375354           1000  -0              2.8274334    
    181000   25.620074           1000  -0              2.8431414    
    182000   25.867063           1000  -0              2.8588493    
    183000   26.111737           1000  -0              2.8745573    
    184000   26.356693           1000  -0              2.8902652    
    185000   26.601965           1000  -0              2.9059732    
    186000   26.847594           1000  -0              2.9216812    
    187000   27.09479            1000  -0              2.9373891    
    188000   27.343645           1000  -0              2.9530971    
    189000   27.593252           1000  -0              2.9688051    
    190000   27.84598            1000  -0              2.984513     
    191000   28.097785           1000  -0              3.000221     
    192000   28.347653           1000  -0              3.0159289    
    193000   28.588968           1000  -0              3.0316369    
    194000   28.82728            1000  -0              3.0473449    
    195000   29.066565           1000  -0              3.0630528    
    196000   29.309153           1000  -0              3.0787608    
    197000   29.894236           1000  -0              3.0944688    
    198000   30.138713           1000  -0              3.1101767    
    199000   30.381879           1000  -0              3.1258847    
    200000   30.627512           1000  -0              3.1415927    
Loop time of 30.6275 on 1 procs for 200000 steps with 1000 atoms

Performance: 26659.225 tau/day, 6530.072 timesteps/s, 6.530 Matom-step/s
97.2% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.4017     | 2.4017     | 2.4017     |   0.0 |  7.84
Neigh   | 0.038916   | 0.038916   | 0.038916   |   0.0 |  0.13
Comm    | 0.35872    | 0.35872    | 0.35872    |   0.0 |  1.17
Output  | 0.78641    | 0.78641    | 0.78641    |   0.0 |  2.57
Modify  | 26.719     | 26.719     | 26.719     |   0.0 | 87.24
Other   |            | 0.3225     |            |       |  1.05

Nlocal:           1000 ave        1000 max        1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            186 ave         186 max         186 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           3782 ave        3782 max        3782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3782
Ave neighs/atom = 3.782
Neighbor list builds = 200
Dangerous builds = 0
unfix 		ins
run		200000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 11.89 | 11.89 | 11.89 Mbytes
   Step          CPU          Atoms        KinEng        v_theta    
    200000   0                   1000   1.0680935      3.1415927    
    201000   0.23768219          1000   1.0599937      3.1573006    
    202000   0.47603693          1000   1.0366355      3.1730086    
    203000   0.71459797          1000   1.0189286      3.1887165    
    204000   0.95145301          1000   1.001478       3.2044245    
    205000   1.1869146           1000   0.99637635     3.2201325    
    206000   1.4249684           1000   0.99361197     3.2358404    
    207000   1.6635344           1000   0.99529657     3.2515484    
    208000   1.8992251           1000   0.98997171     3.2672564    
    209000   2.1484862           1000   0.97666133     3.2829643    
    210000   2.4012768           1000   0.97683679     3.2986723    
    211000   2.6554877           1000   0.98150752     3.3143802    
    212000   2.9093673           1000   0.97585316     3.3300882    
    213000   3.161481            1000   0.97389688     3.3457962    
    214000   3.4184197           1000   0.96426468     3.3615041    
    215000   3.6711643           1000   0.96552353     3.3772121    
    216000   3.9243061           1000   0.97713174     3.3929201    
    217000   4.1757021           1000   0.97062546     3.408628     
    218000   4.4291788           1000   0.97111212     3.424336     
    219000   4.6819445           1000   0.97645659     3.440044     
    220000   4.9376967           1000   0.98148797     3.4557519    
    221000   5.1883947           1000   0.97386268     3.4714599    
    222000   5.4387287           1000   0.97322415     3.4871678    
    223000   5.6878448           1000   0.95781163     3.5028758    
    224000   5.9358535           1000   0.93919542     3.5185838    
    225000   6.1822635           1000   0.9313702      3.5342917    
    226000   6.4302601           1000   0.92788207     3.5499997    
    227000   6.6795172           1000   0.91026919     3.5657077    
    228000   6.9286832           1000   0.89557479     3.5814156    
    229000   7.1797845           1000   0.89173643     3.5971236    
    230000   7.432965            1000   0.89292723     3.6128316    
    231000   7.6848123           1000   0.89944536     3.6285395    
    232000   7.9361745           1000   0.89319113     3.6442475    
    233000   8.1896078           1000   0.89273543     3.6599554    
    234000   8.4447838           1000   0.87360829     3.6756634    
    235000   8.7028153           1000   0.86841591     3.6913714    
    236000   8.9582068           1000   0.86559907     3.7070793    
    237000   9.2150326           1000   0.86231762     3.7227873    
    238000   9.4701361           1000   0.85170772     3.7384953    
    239000   9.7272256           1000   0.85616849     3.7542032    
    240000   9.985268            1000   0.86809668     3.7699112    
    241000   10.243685           1000   0.88066532     3.7856191    
    242000   10.50579            1000   0.89440189     3.8013271    
    243000   10.768046           1000   0.8939512      3.8170351    
    244000   11.030389           1000   0.8963829      3.832743     
    245000   11.29267            1000   0.88074176     3.848451     
    246000   11.553505           1000   0.8733699      3.864159     
    247000   11.81124            1000   0.86130993     3.8798669    
    248000   12.068927           1000   0.86035503     3.8955749    
    249000   12.326723           1000   0.84878437     3.9112829    
    250000   12.584681           1000   0.83989297     3.9269908    
    251000   12.841147           1000   0.82781463     3.9426988    
    252000   13.101351           1000   0.8142641      3.9584067    
    253000   13.361975           1000   0.80683745     3.9741147    
    254000   13.621901           1000   0.809379       3.9898227    
    255000   13.879382           1000   0.81147846     4.0055306    
    256000   14.136754           1000   0.79574281     4.0212386    
    257000   14.393097           1000   0.78339098     4.0369466    
    258000   14.65084            1000   0.7799887      4.0526545    
    259000   14.909563           1000   0.7848995      4.0683625    
    260000   15.171732           1000   0.78284201     4.0840704    
    261000   15.434923           1000   0.7776263      4.0997784    
    262000   15.699673           1000   0.77405185     4.1154864    
    263000   15.964731           1000   0.78130382     4.1311943    
    264000   16.231068           1000   0.81006815     4.1469023    
    265000   16.494447           1000   0.79467298     4.1626103    
    266000   16.757296           1000   0.78592963     4.1783182    
    267000   17.020773           1000   0.76857233     4.1940262    
    268000   17.281914           1000   0.76483523     4.2097342    
    269000   17.543254           1000   0.76549297     4.2254421    
    270000   17.807266           1000   0.75564385     4.2411501    
    271000   18.083451           1000   0.75445102     4.256858     
    272000   18.34927            1000   0.7514406      4.272566     
    273000   18.6133             1000   0.75170218     4.288274     
    274000   18.874318           1000   0.76454717     4.3039819    
    275000   19.137188           1000   0.75991671     4.3196899    
    276000   19.398218           1000   0.75817752     4.3353979    
    277000   19.65797            1000   0.7621338      4.3511058    
    278000   19.917364           1000   0.77239256     4.3668138    
    279000   20.178778           1000   0.7667469      4.3825218    
    280000   20.441559           1000   0.75761494     4.3982297    
    281000   20.704047           1000   0.74370218     4.4139377    
    282000   20.967325           1000   0.734955       4.4296456    
    283000   21.226371           1000   0.72783614     4.4453536    
    284000   21.485188           1000   0.72349874     4.4610616    
    285000   21.742828           1000   0.71585562     4.4767695    
    286000   22.002099           1000   0.70846101     4.4924775    
    287000   22.262387           1000   0.69307445     4.5081855    
    288000   22.523992           1000   0.68469722     4.5238934    
    289000   22.786885           1000   0.67892956     4.5396014    
    290000   23.050769           1000   0.67872999     4.5553093    
    291000   23.313704           1000   0.6820098      4.5710173    
    292000   23.576713           1000   0.67663229     4.5867253    
    293000   23.828165           1000   0.67477934     4.6024332    
    294000   24.081047           1000   0.67452515     4.6181412    
    295000   24.335392           1000   0.67341495     4.6338492    
    296000   24.590438           1000   0.67888865     4.6495571    
    297000   24.84277            1000   0.68373518     4.6652651    
    298000   25.097993           1000   0.68612329     4.6809731    
    299000   25.355621           1000   0.68169877     4.696681     
    300000   25.612938           1000   0.68602699     4.712389     
    301000   25.866694           1000   0.68485644     4.7280969    
    302000   26.120968           1000   0.68101185     4.7438049    
    303000   26.374411           1000   0.67663031     4.7595129    
    304000   26.628686           1000   0.67771638     4.7752208    
    305000   26.881546           1000   0.67525788     4.7909288    
    306000   27.163762           1000   0.6709689      4.8066368    
    307000   27.421347           1000   0.68328286     4.8223447    
    308000   27.674664           1000   0.70273998     4.8380527    
    309000   27.937573           1000   0.70461978     4.8537606    
    310000   28.206728           1000   0.70307737     4.8694686    
    311000   28.473159           1000   0.70087936     4.8851766    
    312000   28.739452           1000   0.70449303     4.9008845    
    313000   29.001716           1000   0.71030367     4.9165925    
    314000   29.267562           1000   0.71113177     4.9323005    
    315000   29.533541           1000   0.71089537     4.9480084    
    316000   29.798996           1000   0.70713116     4.9637164    
    317000   30.068605           1000   0.71002087     4.9794244    
    318000   30.339303           1000   0.71804737     4.9951323    
    319000   30.609227           1000   0.71925831     5.0108403    
    320000   30.879193           1000   0.72835371     5.0265482    
    321000   31.147328           1000   0.7236586      5.0422562    
    322000   31.413246           1000   0.71432128     5.0579642    
    323000   31.675418           1000   0.70905325     5.0736721    
    324000   31.938939           1000   0.71323674     5.0893801    
    325000   32.20437            1000   0.72466784     5.1050881    
    326000   32.471213           1000   0.72956158     5.120796     
    327000   32.739168           1000   0.74478918     5.136504     
    328000   33.005983           1000   0.74404284     5.152212     
    329000   33.273193           1000   0.74051597     5.1679199    
    330000   33.541489           1000   0.73438585     5.1836279    
    331000   33.805988           1000   0.73023911     5.1993358    
    332000   34.071435           1000   0.7373459      5.2150438    
    333000   34.337809           1000   0.73137848     5.2307518    
    334000   34.602061           1000   0.72917991     5.2464597    
    335000   34.87065            1000   0.72945658     5.2621677    
    336000   35.140112           1000   0.72046325     5.2778757    
    337000   35.411283           1000   0.72224629     5.2935836    
    338000   35.681774           1000   0.72177721     5.3092916    
    339000   35.952034           1000   0.72852277     5.3249995    
    340000   36.220116           1000   0.73244024     5.3407075    
    341000   36.484799           1000   0.74123436     5.3564155    
    342000   36.752429           1000   0.74117339     5.3721234    
    343000   37.019401           1000   0.74360263     5.3878314    
    344000   37.284441           1000   0.74998018     5.4035394    
    345000   37.548209           1000   0.75026985     5.4192473    
    346000   37.812297           1000   0.74415875     5.4349553    
    347000   38.078351           1000   0.73219169     5.4506633    
    348000   38.343692           1000   0.72316753     5.4663712    
    349000   38.60829            1000   0.71747804     5.4820792    
    350000   38.873334           1000   0.72055215     5.4977871    
    351000   39.135591           1000   0.71525775     5.5134951    
    352000   39.397948           1000   0.7157435      5.5292031    
    353000   39.65874            1000   0.71883293     5.544911     
    354000   39.921649           1000   0.72106381     5.560619     
    355000   40.184118           1000   0.7126019      5.576327     
    356000   40.44828            1000   0.70018005     5.5920349    
    357000   40.711808           1000   0.6948238      5.6077429    
    358000   40.974553           1000   0.70261087     5.6234508    
    359000   41.240667           1000   0.70651692     5.6391588    
    360000   41.508869           1000   0.71812614     5.6548668    
    361000   41.775889           1000   0.72247116     5.6705747    
    362000   42.044747           1000   0.73675936     5.6862827    
    363000   42.311154           1000   0.75136966     5.7019907    
    364000   42.577458           1000   0.75745313     5.7176986    
    365000   42.846131           1000   0.7541109      5.7334066    
    366000   43.113639           1000   0.75340643     5.7491146    
    367000   43.3804             1000   0.74817232     5.7648225    
    368000   43.644839           1000   0.73555712     5.7805305    
    369000   43.907875           1000   0.72911144     5.7962384    
    370000   44.173474           1000   0.72223387     5.8119464    
    371000   44.435762           1000   0.72012879     5.8276544    
    372000   44.698339           1000   0.72050435     5.8433623    
    373000   44.96325            1000   0.72789287     5.8590703    
    374000   45.228536           1000   0.74234609     5.8747783    
    375000   45.49447            1000   0.74808952     5.8904862    
    376000   45.76007            1000   0.74096035     5.9061942    
    377000   46.027203           1000   0.74052775     5.9219022    
    378000   46.294627           1000   0.74206885     5.9376101    
    379000   46.567974           1000   0.74385723     5.9533181    
    380000   46.837323           1000   0.74901717     5.969026     
    381000   47.104723           1000   0.760668       5.984734     
    382000   47.37249            1000   0.76622105     6.000442     
    383000   47.642871           1000   0.77784236     6.0161499    
    384000   47.913238           1000   0.78443266     6.0318579    
    385000   48.179637           1000   0.77604024     6.0475659    
    386000   48.444304           1000   0.76126822     6.0632738    
    387000   48.708424           1000   0.74932674     6.0789818    
    388000   48.972518           1000   0.7394025      6.0946897    
    389000   49.236663           1000   0.73446106     6.1103977    
    390000   49.502321           1000   0.73226431     6.1261057    
    391000   49.772781           1000   0.72676072     6.1418136    
    392000   50.047483           1000   0.7283395      6.1575216    
    393000   50.308297           1000   0.7289238      6.1732296    
    394000   50.564792           1000   0.72479408     6.1889375    
    395000   50.819957           1000   0.71014812     6.2046455    
    396000   51.078032           1000   0.70351995     6.2203535    
    397000   51.336319           1000   0.70221306     6.2360614    
    398000   51.593057           1000   0.70748482     6.2517694    
    399000   51.853527           1000   0.7046252      6.2674773    
    400000   52.1092             1000   0.70581734     6.2831853    
Loop time of 52.1092 on 1 procs for 200000 steps with 1000 atoms

Performance: 15669.134 tau/day, 3838.093 timesteps/s, 3.838 Matom-step/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.7952     | 7.7952     | 7.7952     |   0.0 | 14.96
Neigh   | 0.062504   | 0.062504   | 0.062504   |   0.0 |  0.12
Comm    | 1.0937     | 1.0937     | 1.0937     |   0.0 |  2.10
Output  | 0.0038447  | 0.0038447  | 0.0038447  |   0.0 |  0.01
Modify  | 42.69      | 42.69      | 42.69      |   0.0 | 81.92
Other   |            | 0.4642     |            |       |  0.89

Nlocal:           1000 ave        1000 max        1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            285 ave         285 max         285 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           5094 ave        5094 max        5094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5094
Ave neighs/atom = 5.094
Neighbor list builds = 158
Dangerous builds = 0
Total wall time: 0:01:22
